CID 129522030

2,4-difluoro-5-iodobenzyl bromide

Structural Information

Molecular Formula
C7H4BrF2I
SMILES
C1=C(C(=CC(=C1I)F)F)CBr
InChI
InChI=1S/C7H4BrF2I/c8-3-4-1-7(11)6(10)2-5(4)9/h1-2H,3H2
InChIKey
LGULFMXWOOKKCQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-difluoro-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.85092 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.85820 142.5
[M+Na]+ 354.84014 149.4
[M-H]- 330.84364 140.4
[M+NH4]+ 349.88474 160.1
[M+K]+ 370.81408 143.8
[M+H-H2O]+ 314.84818 138.1
[M+HCOO]- 376.84912 158.2
[M+CH3COO]- 390.86477 195.2
[M+Na-2H]- 352.82559 137.7
[M]+ 331.85037 155.8
[M]- 331.85147 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.